N,N-diethyl-2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide

C19H29FN2O2 — CID 111109173

IUPACN,N-diethyl-2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
SMILESCCN(CC)C(=O)C(C)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN2O2/c1-4-21(5-2)19(24)14(3)22-12-10-16(11-13-22)18(23)15-6-8-17(20)9-7-15/h6-9,14,16,18,23H,4-5,10-13H2,1-3H3
InChIKeyVIGZJBKSQRUJQH-UHFFFAOYSA-N
MW336.45 g/mol
LogP2.83
Rot. Bonds6

About N,N-diethyl-2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide

N,N-diethyl-2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide (PubChem CID 111109173) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
PubChem CID111109173
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC NameN,N-diethyl-2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
SMILESCCN(CC)C(=O)C(C)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN2O2/c1-4-21(5-2)19(24)14(3)22-12-10-16(11-13-22)18(23)15-6-8-17(20)9-7-15/h6-9,14,16,18,23H,4-5,10-13H2,1-3H3
InChIKeyVIGZJBKSQRUJQH-UHFFFAOYSA-N
XLogP2.83
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 111109463
(2S)-2-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butanoic acid
CID 129401525
2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylpropanamide
CID 111111278
2-ethyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one
CID 111434247
2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 111109219
4-[(4-fluorophenyl)-hydroxymethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 111109261
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 111109338
N-ethyl-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
CID 111109172
N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)propanamide
CID 110877676
N,N-diethyl-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 83978117
(4-fluorophenyl)-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methanol
CID 111434911
N-ethyl-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-4-oxobutanamide
CID 111434257

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide?
The IUPAC name of N,N-diethyl-2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide (CID 111109173) is N,N-diethyl-2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N,N-diethyl-2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide?
The canonical SMILES for N,N-diethyl-2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide is CCN(CC)C(=O)C(C)N1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide?
The InChIKey is VIGZJBKSQRUJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-4-21(5-2)19(24)14(3)22-12-10-16(11-13-22)18(23)15-6-8-17(20)9-7-15/h6-9,14,16,18,23H,4-5,10-13H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide?
N,N-diethyl-2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide has a molecular weight of 336.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 111109173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).